97 citations · 112 across the 11 of their papers we have counts for
11 papers
Crystal structure prediction with nuclear quantum and finite-temperature effects via deep free energy learning
Xiaoyang Wang, Yinan Wang, Wenbo Zhao +4
Accurate crystal structure prediction (CSP) requires accounting for finite-temperature and nuclear quantum effects, yet first-principles evaluation of the free energy surface (FES)…
Interface-dependent Phase Transitions and Ultrafast Hydrogen Superionic Diffusion of H2O Ice
Pengfei Hou, Yumiao Tian, Zifeng Liu +5
High-pressure experiments using diamond anvils have revealed novel properties and phase behavior of H2O under extreme conditions. When contained in diamond-anvil cells, the H2O sam…
Isotropic Superconductivity in Room-temperature Superconductor LaScH
Zefang Wang, Wenbo Zhao, Yuan Ma +2
The discovery of LaScH represents a milestone in the quest for room-temperature superconductivity, yet the microscopic mechanism underlying its superior performance re…
Revisiting Phase Stability and Superconductivity in Ca-H Superhydrides with Anharmonic Effects
Wenbo Zhao, Zefang Wang, Ying Sun +3
The prediction of superconductivity above 200 K in CaH revolutionized research on hydrogen-rich superconductors, and subsequent experiments have verified this prediction, while…
Room-Temperature Superconductivity at 298 K in Ternary La-Sc-H System at High-pressure Conditions
Yinggang Song, Chuanheng Ma, Hongbo Wang +7
Room-temperature superconductor has been a century-long dream of humankind. Recent research on hydrogen-based superconductors (e.g., CaH6, LaH10, etc.) at high-pressure conditions…
Discovery of High-Temperature Superconducting Ternary Hydrides via Deep Learning
Xiaoyang Wang, Chengqian Zhang, Zhenyu Wang +5
The discovery of novel high-temperature superconductor materials holds transformative potential for a wide array of technological applications. However, the combinatorially vast ch…
Observation of molecular and polymeric nitrogen stuffed NaCl ionic layers
Ping Ning, Yifan Tian, Guangtao Liu +5
Sodium chloride (NaCl), a ubiquitous and chemically stable compound, has been considered inert under ambient conditions. Its typical B1 structure is highly isotropic without prefer…
The Impact of Ionic Anharmonicity on Superconductivity in Metal-Stuffed B-C Clathrates
Wenbo Zhao, Ying Sun, Jiaxiang Li +8
Metal-stuffed BC compounds with sodalite clathrate structure have captured increasing attention due to their predicted exceptional superconductivity above liquid nitrogen temper…
Data-driven design of high-temperature superconductivity among ternary hydrides under pressure
Bowen Jiang, Xiaoshan Luo, Toshiaki Iitaka +6
Recently, ternary clathrate hydrides are promising candidates for high-temperature superconductor. However, it is a formidable challenge to effectively hunt high-temperature superc…
Prediction of fully metallic σ-bonded boron framework induced high superconductivity above 100 K in thermodynamically stable Sr2B5 at 40 GPa
Xin Yang, Wenbo Zhao, Liang Ma +5
Metal borides have been considered as potential high-temperature superconductors since the discovery of record-holding 39 K superconductivity in bulk MgB2. In this work, we identif…
Phase Diagram and High-Temperature Superconductivity of Compressed Selenium Hydrides
Shoutao Zhang, Yanchao Wang, Jurong Zhang +6
Recent discovery of high-temperature superconductivity (Tc = 190 K) in sulfur hydrides at megabar pressures breaks the traditional belief on the Tc limit of 40 K for conventional s…